SCHEMBL6818601

SCHEMBL6818601

CCC(=O)Nc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccc(N(C)C(C)=O)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.33
ALB P02768 2/20 0.31
GHSR Q92847 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7066829 0.93 ALB (0.32) ALB
SCHEMBL6818876 0.91 ALB (0.32) ALB
SCHEMBL7067494 0.90 ALB (0.30) ALBGHSR
SCHEMBL6817342 0.90 ALB (0.32) ALBGHSR
SCHEMBL6818476 0.89 GHSR (0.33) ALBGHSR
SCHEMBL6819608 0.89 GHSR (0.32) ALBGHSR
SCHEMBL6819385 0.89 ALB (0.33) ALB
SCHEMBL6819494 0.89 ALB (0.33) ALBGHSR
SCHEMBL6818132 0.89 GHSR (0.32) ALBGHSR
SCHEMBL7065745 0.88 ITK (0.32) ALB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed